SCHEMBL4455212

SCHEMBL4455212

O=Cc1ccc(O)c(Cc2cc(C3(c4cc(Cc5cc(C=O)ccc5O)c(O)c(C5CCCCC5)c4)CCCCC3)cc(C3CCCCC3)c2O)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
NUDT1 P36639 1/20 0.32
BACE1 P56817 1/20 0.32
ACHE P22303 1/20 0.32
KDM4E B2RXH2 2/20 0.32
PTGS2 P35354 1/20 0.32
RAB9A P51151 1/20 0.32
RARB P10826 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29908289 0.84 AMY1A (0.48) HSP90AA1ESR1ESR2NUDT1BACE1
SCHEMBL3199214 0.84 AMY1A (0.48) HSP90AA1ESR1ESR2NUDT1BACE1
SCHEMBL30374839 0.84 AMY1A (0.48) HSP90AA1ESR1ESR2NUDT1BACE1
SCHEMBL3179169 0.82 CDK1 (0.37) HSP90AA1ESR1ESR2NUDT1BACE1
SCHEMBL29831687 0.82 ESR1 (0.37) HSP90AA1ESR1ESR2NUDT1BACE1
SCHEMBL3194500 0.82 ESR1 (0.37) HSP90AA1ESR1ESR2NUDT1BACE1
SCHEMBL30375240 0.82 ESR1 (0.37) HSP90AA1ESR1ESR2NUDT1BACE1
SCHEMBL4452625 0.81 ESR1 (0.34) HSP90AA1ESR1ESR2ACHEKDM4E
SCHEMBL4449585 0.81 ACHE (0.32) HSP90AA1ACHEKDM4EMEN1MAPT
SCHEMBL22534424 0.79 ESR1 (0.38) HSP90AA1ESR1ESR2NUDT1BACE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7586009-B2 Bis-(hydroxybenzaldehyde) compound and novel polynuclear polyphenol compound derived therefrom and method for production thereof HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2009-09-08 US disclosed
US-7586009-B2 Bis-(hydroxybenzaldehyde) compound and novel polynuclear polyphenol compound derived therefrom and method for production thereof HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2009-09-08 US disclosed
US-7586009-B2 Bis-(hydroxybenzaldehyde) compound and novel polynuclear polyphenol compound derived therefrom and method for production thereof HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2009-09-08 US disclosed
US-20090076310-A1 NOVEL BIS-(HYDROXYBENZALDEHYDE) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED THEREFROM AND METHOD FOR PRODUCTION THEREOF HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2009-03-19 US disclosed
US-20090076310-A1 NOVEL BIS-(HYDROXYBENZALDEHYDE) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED THEREFROM AND METHOD FOR PRODUCTION THEREOF HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2009-03-19 US disclosed
US-20090076310-A1 NOVEL BIS-(HYDROXYBENZALDEHYDE) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED THEREFROM AND METHOD FOR PRODUCTION THEREOF HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2009-03-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090076310-A1 NOVEL BIS-(HYDROXYBENZALDEHYDE) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED THEREFROM AND METHOD FOR PRODUCTION THEREOF DDT, PAH, HPD HSP90AA1 793/4885ESR1 1880/4885ESR2 2910/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.